Dynamic Jahn-Teller vibronic coupling for an orbital triplet:T×τ2andT×(τ2+ε)

Abstract

Numerical solutions of the vibronic problem for an electronic triplet state coupled to ${\tau }_2$ vibrations in cubic symmetry have been investigated in detail by Lanczos's method for the diagonalization of a sparse matrix. Ham's reduction factors and zero-phonon intensity have been calculated and compared with the previous results. Good agreement between our results and the previous ones has been found. Our method has been sucessfully extended to the general problem of a $T\times ({\tau }_2+\epsilon )$ system in which the coupling to the two modes is assumed different. The vibronic energy scheme for the lower states of this system are obtained in the intermediate-coupling region. The properties of the lowest state are also investigated.